CID 71744209

1261851-55-1

Structural Information

Molecular Formula
C9H7F3O3
SMILES
C1=CC(=C(C=C1CC(=O)O)F)OC(F)F
InChI
InChI=1S/C9H7F3O3/c10-6-3-5(4-8(13)14)1-2-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)
InChIKey
VHFMSYGWFHDRBD-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.042006 139.8
[M+Na]+ 243.023948 148.4
[M-H]- 219.027454 138.6
[M+NH4]+ 238.068553 157.5
[M+K]+ 258.997888 146.2
[M+H-H2O]+ 203.031990 131.6
[M+HCOO]- 265.032931 158.5
[M+CH3COO]- 279.048581 186.2
[M+Na-2H]- 241.009396 141.9
[M]+ 220.03418142 137.4
[M]- 220.03527858 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.